4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol

C10H17NO — CID 105365862

IUPAC4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol
SMILESC=CCC1(O)CCN2CCC1C2
InChIInChI=1S/C10H17NO/c1-2-4-10(12)5-7-11-6-3-9(10)8-11/h2,9,12H,1,3-8H2
InChIKeyPJVQEXZSCSWSJC-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.02
Rot. Bonds2

About 4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol

4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365862) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365862
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol
SMILESC=CCC1(O)CCN2CCC1C2
InChIInChI=1S/C10H17NO/c1-2-4-10(12)5-7-11-6-3-9(10)8-11/h2,9,12H,1,3-8H2
InChIKeyPJVQEXZSCSWSJC-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-prop-2-enylazepan-4-ol
CID 79734396
1-Ethyl-4-prop-2-enylazepan-4-ol
CID 79734397
4-Prop-2-enyl-1-propylazepan-4-ol
CID 79734490
4-Ethenyl-1-azabicyclo[3.2.1]octan-4-ol
CID 105365721
4-(2-Methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365915
4-Prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol
CID 105365956

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol (CID 105365862) is 4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol is C=CCC1(O)CCN2CCC1C2.
What is the InChIKey of 4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is PJVQEXZSCSWSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-4-10(12)5-7-11-6-3-9(10)8-11/h2,9,12H,1,3-8H2.
What are the key properties of 4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol?
4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 167.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).